5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C11H13BrCl2N2O2S — CID 120709937

IUPAC5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2S/c1-16(7-2-3-15-6-7)19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyLADOWIBRJSESMX-UHFFFAOYSA-N
MW388.11 g/mol
LogP2.74
Rot. Bonds3

About 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 120709937) has the molecular formula C11H13BrCl2N2O2S and a molecular weight of 388.11 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID120709937
Molecular FormulaC11H13BrCl2N2O2S
Molecular Weight388.11 g/mol
Exact Mass385.93
IUPAC Name5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2S/c1-16(7-2-3-15-6-7)19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyLADOWIBRJSESMX-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119978801
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
2-bromo-5-chloro-4-methoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965987
3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120999700
4-bromo-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978996
5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 120706363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 120709937) is 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is LADOWIBRJSESMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O2S/c1-16(7-2-3-15-6-7)19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 388.11 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 120709937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).